氟班色林杂质8 | 55470-74-1

• 物质功能分类: 分析化学 - 标准品 - 药典标准品和杂质标准品
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 氟班色林杂质8
• 英文名称: 1,3-bis(2-chloroethyl)benzimidazolin-2-one
• 英文别名: 1,3-bis-(2-chloro-ethyl)-1,3-dihydro-benzoimidazol-2-one；1,3-di-(2-chloroethyl)-benzimidazolone；1,3-Di-(2-chloraethyl)-benzimidazolon；1.3-Di-(2-chlor-ethyl)-benzimidazolon；1,3-bis(2-chloroethyl)benzimidazol-2-one
• CAS: 55470-74-1
• 化学式: C₁₁H₁₂Cl₂N₂O
• 分子量: 259.135
• InChiKey: ISLCAAJTFWKTII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  氟班色林杂质8 在 盐酸 、 氢氧化钾 、 四丁基溴化铵 作用下， 以 甲醇 、 水 为溶剂， 反应 49.5h， 生成 1,3-bis[2-(2-oxobenzimidazol-1-yl)ethyl]-2-oxobenzimidazole
  参考文献：
  名称：

  N,N′-Linked 1,2-ethanediyl-poly(benzimidazolin-2-ones) and the X-ray crystal structure of a benzimidazolin-2-one trimer

  摘要：

  A series of N,N'-linked 1,2-ethanediyl-poly(benzimidazolin-2-ones) that can be classified as podands, are described. Seven dimers (21-27), three trimers (28-30), a cyclic tetramer (31) and an open-chain benzimidazolin-2-one heptamer (32) have been prepared and characterized by H-1, C-13 NMR and by MS, The crystal and molecular structure of the trimer, 1,3-bis-2-(2-oxobenzimidazol-1-yl)ethyl-2-oxobenzimide monohydrate (30) has been solved by X-Ray analysis. The benzimidazolin-2-one fragments display a pattern of bond distances and angles similar to that of analogue derivatives retrieved form the CSD. The molecules are hydrogen bonded to four others in a continuous two-dimensional network by N-H ... O=C and C-H ... O=C interactions in which all N-H donors and O=C accepters are involved. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00434-1
• 作为产物：
  描述：

  2-羟基苯并咪唑 、 1,2-二氯乙烷 在 氢氧化钾 、 四丁基溴化铵 作用下， 生成 1-(2-氯乙基)-2,3-二氢苯并咪唑-2-酮 、 氟班色林杂质8
  参考文献：
  名称：

  N,N′-Linked 1,2-ethanediyl-poly(benzimidazolin-2-ones) and the X-ray crystal structure of a benzimidazolin-2-one trimer

  摘要：

  A series of N,N'-linked 1,2-ethanediyl-poly(benzimidazolin-2-ones) that can be classified as podands, are described. Seven dimers (21-27), three trimers (28-30), a cyclic tetramer (31) and an open-chain benzimidazolin-2-one heptamer (32) have been prepared and characterized by H-1, C-13 NMR and by MS, The crystal and molecular structure of the trimer, 1,3-bis-2-(2-oxobenzimidazol-1-yl)ethyl-2-oxobenzimide monohydrate (30) has been solved by X-Ray analysis. The benzimidazolin-2-one fragments display a pattern of bond distances and angles similar to that of analogue derivatives retrieved form the CSD. The molecules are hydrogen bonded to four others in a continuous two-dimensional network by N-H ... O=C and C-H ... O=C interactions in which all N-H donors and O=C accepters are involved. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(97)00434-1

文献信息

• Halogen-substituted benzimidazolone compounds
  申请人：Ciba-Geigy Corporation

  公开号：US03954790A1

  公开（公告）日：1976-05-04

  New chlorinated and/or brominated N,N'-substituted benzimidazolones are obtained by reacting N,N'-substituted benzimidazolones with chlorine or bromine. The new chlorine-containing and/or bromine-containing benzimidazolone compounds are suitable for the production of heat-stable, flame-resistant polymers.

  通过将N,N'-取代苯并咪唑酮与氯或溴反应，可以获得新的氯化和/或溴化N,N'-取代苯并咪唑酮。这些新的含氯和/或溴的苯并咪唑酮化合物适用于生产耐热、阻燃的聚合物。
• US3954790A
  申请人：——

  公开号：US3954790A

  公开（公告）日：1976-05-04
• US3992401A
  申请人：——

  公开号：US3992401A

  公开（公告）日：1976-11-16